2-amino-2-(pyridin-3-yl)ethan-1-ol

• ChemBase ID: 69437
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: NC(CO)c1cnccc1
• Canonical SMILES: OCC(c1cccnc1)N
• InChI: InChI=1S/C7H10N2O/c8-7(5-10)6-2-1-3-9-4-6/h1-4,7,10H,5,8H2
• InChIKey: RTBSTLCUXKGLPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(pyridin-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-amino-2-(pyridin-3-yl)ethanol
• Synonyms: 2-AMINO-2-PYRIDIN-3-YL-ETHANOL; 1-(3-Pyridinyl)-2-hydroxyethylamine

Database IDs

• CAS Number: 372144-01-9
• MDL Number: MFCD02683180
• PubChem SID: 162035163
• PubChem CID: 2734590

CALCULATED PROPERTIES

• Acid pKa: 14.963031
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6065383
• LogD (pH = 7.4): -2.18421
• Log P: -0.7489931
• Molar Refractivity: 38.337 cm^3
• Polarizability: 15.251234 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%